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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1501-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1501
Au
8
Si
4
-43.785
1502
Au
8
Si
4
-44.350
1503
Au
8
Si
4
-43.764
1504
Au
8
Si
4
-44.339
1505
Au
8
Si
4
-44.341
1506
Au
8
Si
4
-44.333
1507
Au
8
Si
4
-43.778
1508
Au
8
Si
4
-43.661
1509
Au
8
Si
4
-43.787
1510
Au
8
Si
4
-44.346
1511
Au
8
Si
4
-44.348
1512
Au
8
Si
4
-43.795
1513
Au
8
Si
4
-43.792
1514
Au
8
Si
4
-43.772
1515
Au
8
Si
4
-43.779
1516
Au
8
Si
4
-43.781
1517
Au
8
Si
4
-43.768
1518
Au
8
Si
4
-43.744
1519
Au
8
Si
4
-43.785
1520
Au
8
Si
4
-44.331
1521
Au
8
Si
4
-44.331
1522
Au
8
Si
4
-44.347
1523
Au
8
Si
4
-44.324
1524
Au
8
Si
4
-44.339
1525
Au
8
Si
4
-44.361
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